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| CAS No.: | 20292-08-4 |
|---|---|
| Name: | 2-ethylhexyl laurate |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C20H40O2 |
| Molecular Weight: | 312.536 |
| Synonyms: | Lauricacid, 2-ethylhexyl ester (8CI);2-Ethylhexyl laurate;Pastell 2H12; |
| EINECS: | 243-697-9 |
| Density: | 0.862 g/cm3 |
| Boiling Point: | 354.6 °C at 760 mmHg |
| Flash Point: | 170.9 °C |
| Solubility: | 1.44μg/L at 25℃ |
| PSA: | 26.30000 |
| LogP: | 6.66690 |
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Specification
The Dodecanoic acid,2-ethylhexyl ester, with the CAS registry number 20292-08-4, is also known as 2-Ethylhexyl laurate. Its EINECS registry number is 243-697-9. This chemical's molecular formula is C20H40O2 and molecular weight is 312.5304. What's more, both its IUPAC name and systematic name are the same which is called 2-Ethylhexyl dodecanoate.
Physical properties about Dodecanoic acid,2-ethylhexyl ester are: (1) ACD/LogP: 9.03; (2) # of Rule of 5 Violations: 1; (3) ACD/LogD (pH 5.5): 9.03; (4) ACD/LogD (pH 7.4): 9.03; (5) ACD/BCF (pH 5.5): 1000000; (6) ACD/BCF (pH 7.4): 1000000; (7) ACD/KOC (pH 5.5): 1937033; (8) ACD/KOC (pH 7.4): 1937033; (9) #H bond acceptors: 2; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 17; (12) Polar Surface Area: 26.3 Å2; (13) Index of Refraction: 1.444; (14) Molar Refractivity: 96.43 cm3; (15) Molar Volume: 362.5 cm3; (16) Surface Tension: 30.2 dyne/cm; (17) Density: 0.862 g/cm3; (18) Flash Point: 170.9 °C; (19) Enthalpy of Vaporization: 59.97 kJ/mol; (20) Boiling Point: 354.6 °C at 760 mmHg; (21) Vapour Pressure: 3.31E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC(CCCC)CC)CCCCCCCCCCC
(2) InChI: InChI=1/C20H40O2/c1-4-7-9-10-11-12-13-14-15-17-20(21)22-18-19(6-3)16-8-5-2/h19H,4-18H2,1-3H3
(3) InChIKey: LWLRMRFJCCMNML-UHFFFAOYAH